SCHEMBL3601754

SCHEMBL3601754

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3C)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.37
GPR6 P46095 4/20 0.35
SIGMAR1 Q99720 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
HRH2 P25021 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3594534 0.95 GPR6 (0.35) SLC22A12GPR6SIGMAR1HRH2
SCHEMBL3597315 0.94 GPR6 (0.36) SLC22A12GPR6SIGMAR1PTGDR2HRH2
SCHEMBL16327010 0.93 GPR6 (0.35) GPR6SIGMAR1MAOAMAOBEPHX2
SCHEMBL3597969 0.93 SLC22A12 (0.42) SLC22A12GPR6SIGMAR1PTGDR2HRH2
SCHEMBL3596047 0.93 SIGMAR1 (0.40) GPR6SIGMAR1HRH2MAOAMAOB
SCHEMBL3591151 0.93 SLC22A12 (0.35) SLC22A12GPR6SIGMAR1HRH2KDM4E
SCHEMBL3588625 0.92 HRH2 (0.37) GPR6SIGMAR1PTGDR2HRH2
SCHEMBL3593937 0.91 KDM1A (0.37) GPR6SIGMAR1HRH2MAOAMAOB
SCHEMBL3598918 0.90 GPBAR1 (0.36) GPR6PTGDR2MAOAMAOB
SCHEMBL3589171 0.90 ALDH1A1 (0.36) GPR6SIGMAR1HRH2ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 SLC22A12 3061/4885GPR6 154/4885SIGMAR1 588/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.